2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol

C16H22N2O2 — CID 141366787

IUPAC2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
SMILESCC(C)(C)c1ccn(-c2cccc(COCCO)c2)n1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)15-7-8-18(17-15)14-6-4-5-13(11-14)12-20-10-9-19/h4-8,11,19H,9-10,12H2,1-3H3
InChIKeyVONYJMKPBPTFDI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.68
Rot. Bonds5

About 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol

2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol (PubChem CID 141366787) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
PubChem CID141366787
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
SMILESCC(C)(C)c1ccn(-c2cccc(COCCO)c2)n1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)15-7-8-18(17-15)14-6-4-5-13(11-14)12-20-10-9-19/h4-8,11,19H,9-10,12H2,1-3H3
InChIKeyVONYJMKPBPTFDI-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
CID 141366811
2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol
CID 141134073
2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol
CID 141421970
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine
CID 141366794
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine
CID 141422239
2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol
CID 141134717
[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
CID 146511965
3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
CID 141095327
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887
3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol
CID 113374449
4-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]butanoic acid
CID 175308580
3-tert-butyl-5-methoxy-1-phenylpyrazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-phenylpyrazole
CID 158585861

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol?
The IUPAC name of 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol (CID 141366787) is 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol.
What is the SMILES notation for 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol?
The canonical SMILES for 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol is CC(C)(C)c1ccn(-c2cccc(COCCO)c2)n1.
What is the InChIKey of 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol?
The InChIKey is VONYJMKPBPTFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)15-7-8-18(17-15)14-6-4-5-13(11-14)12-20-10-9-19/h4-8,11,19H,9-10,12H2,1-3H3.
What are the key properties of 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol?
2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol is sourced from PubChem (CID 141366787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).